Molecule
ID:950543
General Information
Molecular Formula
C₁₄H₂₈N₂O₃
Molecular Mass
272.3837242126465
Exact Mass
272.2099928855896
Charge
0
InChI
InChI=1/C14H28N2O3/c1-4-19-10-13(17)9-16-7-5-12(6-8-16)15-14(18)11(2)3/h11-13,17H,4-10H2,1-3H3,(H,15,18)
InChIKey
SDQLLODYBQBFAC-UHFFFAOYNA-N
Canonic Smiles
CCOCC(O)CN1CCC(CC1)NC(=O)C(C)C
Isomeric Smiles
CCOCC(O)CN1CCC(NC(=O)C(C)C)CC1
Calculated Properties
Provided by Enamine
CLogP
-0.43
H Donor
2
Polar Surface Area
61.80
Rotatable Bonds
7
JChem
Log P
0.14
LogD (pH = 7.4)
-1.00
LogD (pH = 5.5)
-2.74
Rotatable Bonds
7
H Donor
2
H Acceptors
4
Polar Surface Area
61.80
Molar Refractivity
75
Polarizability
31.82
Acid pKa
14.09
Lipinski's Rule of Five
true
LOG S
-1.20
Data Source
Commercial Catalog
Names and Identifiers
IUPAC Traditional name
N-[1-(3-ethoxy-2-hydroxypropyl)piperidin-4-yl]-2-methylpropanamide
IUPAC name
N-[1-(3-ethoxy-2-hydroxypropyl)piperidin-4-yl]-2-methylpropanamide
Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity